d[Cha4,Orn8]VP

ID: ALA263090

Chembl Id: CHEMBL263090

PubChem CID: 16109438

Max Phase: Preclinical

Molecular Formula: C49H69N11O11S2

Molecular Weight: 1052.29

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

Standard InChI:  InChI=1S/C49H69N11O11S2/c50-20-7-13-33(43(65)53-27-41(52)63)55-48(70)39-14-8-21-60(39)49(71)38-28-73-72-22-19-42(64)54-34(25-31-15-17-32(61)18-16-31)44(66)56-35(23-29-9-3-1-4-10-29)45(67)57-36(24-30-11-5-2-6-12-30)46(68)58-37(26-40(51)62)47(69)59-38/h1,3-4,9-10,15-18,30,33-39,61H,2,5-8,11-14,19-28,50H2,(H2,51,62)(H2,52,63)(H,53,65)(H,54,64)(H,55,70)(H,56,66)(H,57,67)(H,58,68)(H,59,69)/t33-,34-,35-,36-,37-,38-,39-/m0/s1

Standard InChI Key:  CADGMGWLZUBCQD-ZTYVOHGWSA-N

Alternative Forms

1. Parent:

   

   ALA263090

   d[Cha4,Orn8]VP

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1052.29

Molecular Weight (Monoisotopic): 1051.4619

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References

1. Pena A, Murat B, Trueba M, Ventura MA, Wo NC, Szeto HH, Cheng LL, Stoev S, Guillon G, Manning M..  (2007)  Design and synthesis of the first selective agonists for the rat vasopressin V(1b) receptor: based on modifications of deamino-[Cys1]arginine vasopressin at positions 4 and 8.,  50  (4): [PMID:17300166] [10.1021/jm060928n]

Source

Source(1):

• Scientific Literature